SCHEMBL5021047

SCHEMBL5021047

CN1CCC(/C(=N\O)c2ccc(F)cc2F)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.48
HRH4 Q9H3N8 3/20 0.46
HRH3 Q9Y5N1 1/20 0.46
HTR1F P30939 6/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
CHRM5 P08912 1/20 0.37
DRD5 P21918 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1E P28566 1/20 0.37
HTR7 P34969 1/20 0.37
OPRK1 P41145 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
ALDH1A1 P00352 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13390925 1.00 ACKR3 (0.48) ACKR3HRH4HRH3HTR1FL3MBTL1
SCHEMBL14542094 0.86 L3MBTL1 (0.40) ACKR3L3MBTL1KMT2AMEN1CES2
SCHEMBL7931883 0.84 MEN1 (0.46) ACKR3L3MBTL1KMT2AMEN1CES2
SCHEMBL7931887 0.84 MEN1 (0.46) ACKR3L3MBTL1KMT2AMEN1CES2
SCHEMBL10991884 0.82 HRH4 (0.51) HRH4HRH3HTR1FKMT2AALDH1A1
SCHEMBL10640859 0.82 L3MBTL1 (0.40) ACKR3L3MBTL1KMT2AMEN1CES2
SCHEMBL4718081 0.81 L3MBTL1 (0.42) ACKR3L3MBTL1CES2CES1
SCHEMBL1833474 0.81 L3MBTL1 (0.42) ACKR3L3MBTL1CES2CES1
SCHEMBL8071415 0.81 L3MBTL1 (0.42) ACKR3L3MBTL1CES2CES1
SCHEMBL30640891 0.81 L3MBTL1 (0.42) ACKR3L3MBTL1CES2CES1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180273476-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS MERCK PATENT GMBH (DE) 2018-09-27 US disclosed
US-9914702-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2018-03-13 US disclosed
EP-2709985-B1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS LTD (AU) 2017-10-04 EP disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 US disclosed
US-9493451-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2016-11-15 US disclosed
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers BIONOMICS LIMITED (AU) 2015-10-22 US disclosed
US-20140336198-A1 Amine Derivatives as Potassium Channel Blockers MERCK PATENT GMBH (DE) 2014-11-13 US disclosed
WO-2012063269-A2 PROCESS FOR PREPARING ILOPERIDONE CADILA HEALTHCARE LIMITED (IN) 2012-05-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS KCNA3, KCNH3, KCNK3 ACKR3 455/4885HRH4 240/4885HRH3 176/4885
US-20180273476-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS KCNA3, KCNH3, KCNK3 ACKR3 455/4885HRH4 240/4885HRH3 176/4885
US-20140336198-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 ACKR3 455/4885HRH4 240/4885HRH3 176/4885
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 ACKR3 455/4885HRH4 240/4885HRH3 176/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.